(2,7-dibutylphenoxazin-10-yl) propane-1-sulfonate

Systemtic Name: (2,7-dibutylphenoxazin-10-yl) propane-1-sulfonate Openeye Name: (2,7-dibutylphenoxazin-10-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (2,7-dibutylphenoxazin-10-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (2,7-dibutylphenoxazin-10-yl) ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)OC3=C(N2OS(=O)(=O)CCC)C=CC(=C3)CCCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)OC3=C(N2OS(=O)(=O)CCC)C=CC(=C3)CCCC

InChI

InChI=1S/C23H31NO4S/c1-4-7-9-18-12-14-22-21(16-18)24(28-29(25,26)15-6-3)20-13-11-19(10-8-5-2)17-23(20)27-22/h11-14,16-17H,4-10,15H2,1-3H3